USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 2 HIS HE2 : A 2 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 4 HIS HD1 : A 4 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: C 2 HIS HD1 : C 2 HIS ND1 : C 101 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 HIS HD1 : C 4 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 HIS HE2 : C 4 HIS NE2 : C 101 ZNZN :(H bumps) USER MOD NoAdj-H: E 2 HIS HD1 : E 2 HIS ND1 : C 101 ZNZN :(H bumps) USER MOD NoAdj-H: E 2 HIS HE2 : E 2 HIS NE2 : E 101 ZNZN :(H bumps) USER MOD NoAdj-H: E 4 HIS HD1 : E 4 HIS ND1 : E 101 ZNZN :(H bumps) USER MOD NoAdj-H: G 2 HIS HD1 : G 2 HIS ND1 : G 101 ZNZN :(H bumps) USER MOD NoAdj-H: G 4 HIS HD1 : G 4 HIS ND1 : E 101 ZNZN :(H bumps) USER MOD NoAdj-H: G 4 HIS HE2 : G 4 HIS NE2 : G 101 ZNZN :(H bumps) USER MOD NoAdj-H: I 2 HIS HD1 : I 2 HIS ND1 : G 101 ZNZN :(H bumps) USER MOD NoAdj-H: I 2 HIS HE2 : I 2 HIS NE2 : I 101 ZNZN :(H bumps) USER MOD NoAdj-H: I 4 HIS HD1 : I 4 HIS ND1 : I 101 ZNZN :(H bumps) USER MOD NoAdj-H: K 2 HIS HD1 : K 2 HIS ND1 : K 101 ZNZN :(H bumps) USER MOD NoAdj-H: K 4 HIS HD1 : K 4 HIS ND1 : I 101 ZNZN :(H bumps) USER MOD NoAdj-H: K 4 HIS HE2 : K 4 HIS NE2 : K 101 ZNZN :(H bumps) USER MOD NoAdj-H: O 2 HIS HE2 : O 2 HIS NE2 : O 101 ZNZN :(H bumps) USER MOD NoAdj-H: O 4 HIS HD1 : O 4 HIS ND1 : O 101 ZNZN :(H bumps) USER MOD NoAdj-H: Q 2 HIS HD1 : Q 2 HIS ND1 : Q 101 ZNZN :(H bumps) USER MOD NoAdj-H: Q 4 HIS HD1 : Q 4 HIS ND1 : O 101 ZNZN :(H bumps) USER MOD NoAdj-H: Q 4 HIS HE2 : Q 4 HIS NE2 : Q 101 ZNZN :(H bumps) USER MOD NoAdj-H: S 2 HIS HD1 : S 2 HIS ND1 : Q 101 ZNZN :(H bumps) USER MOD NoAdj-H: S 2 HIS HE2 : S 2 HIS NE2 : S 101 ZNZN :(H bumps) USER MOD NoAdj-H: S 4 HIS HD1 : S 4 HIS ND1 : S 101 ZNZN :(H bumps) USER MOD NoAdj-H: U 2 HIS HD1 : U 2 HIS ND1 : U 101 ZNZN :(H bumps) USER MOD NoAdj-H: U 4 HIS HD1 : U 4 HIS ND1 : S 101 ZNZN :(H bumps) USER MOD NoAdj-H: U 4 HIS HE2 : U 4 HIS NE2 : U 101 ZNZN :(H bumps) USER MOD NoAdj-H: W 2 HIS HD1 : W 2 HIS ND1 : U 101 ZNZN :(H bumps) USER MOD NoAdj-H: W 2 HIS HE2 : W 2 HIS NE2 : W 101 ZNZN :(H bumps) USER MOD NoAdj-H: W 4 HIS HD1 : W 4 HIS ND1 : W 101 ZNZN :(H bumps) USER MOD NoAdj-H: Y 2 HIS HD1 : Y 2 HIS ND1 : Y 101 ZNZN :(H bumps) USER MOD NoAdj-H: Y 4 HIS HD1 : Y 4 HIS ND1 : W 101 ZNZN :(H bumps) USER MOD NoAdj-H: Y 4 HIS HE2 : Y 4 HIS NE2 : Y 101 ZNZN :(H bumps) USER MOD Set 1.1: O 6 GLN : amide:sc= 0.468 K(o=2.1,f=1.2) USER MOD Set 1.2: Q 6 GLN : amide:sc= 0.477 K(o=2.1,f=-2.8!) USER MOD Set 1.3: S 6 GLN : amide:sc= 0.749 K(o=2.1,f=-6!) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.278 K(o=2.1,f=-6.5!) USER MOD Set 1.5: W 6 GLN : amide:sc= 0.503 K(o=2.1,f=-7.6!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.328 K(o=2.1,f=-5.8!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.477 K(o=2.1,f=1.2) USER MOD Set 2.2: C 6 GLN : amide:sc= 0.479 K(o=2.1,f=-2.9!) USER MOD Set 2.3: E 6 GLN : amide:sc= 0.746 K(o=2.1,f=-6!) USER MOD Set 2.4: G 6 GLN : amide:sc= 0.252 K(o=2.1,f=-6.6!) USER MOD Set 2.5: I 6 GLN : amide:sc= 0.446 K(o=2.1,f=-7.7!) USER MOD Set 2.6: K 6 GLN : amide:sc= -0.304 K(o=2.1,f=-5.5!) USER MOD Single : A 1 ILE N :NH3+ 168:sc= -0.418 (180deg=-0.974) USER MOD Single : C 1 ILE N :NH3+ -152:sc= -0.132 (180deg=-0.977) USER MOD Single : E 1 ILE N :NH3+ 172:sc= -0.266 (180deg=-0.58) USER MOD Single : G 1 ILE N :NH3+ -132:sc= -0.143 (180deg=-1.02) USER MOD Single : I 1 ILE N :NH3+ 171:sc= -0.375 (180deg=-0.553) USER MOD Single : K 1 ILE N :NH3+ -151:sc= -0.133 (180deg=-0.924) USER MOD Single : O 1 ILE N :NH3+ 167:sc= -0.404 (180deg=-0.855) USER MOD Single : Q 1 ILE N :NH3+ -151:sc= -0.205 (180deg=-1.03) USER MOD Single : S 1 ILE N :NH3+ 170:sc= -0.343 (180deg=-0.629) USER MOD Single : U 1 ILE N :NH3+ -152:sc= -0.201 (180deg=-1.03) USER MOD Single : W 1 ILE N :NH3+ 172:sc= -0.379 (180deg=-0.667) USER MOD Single : Y 1 ILE N :NH3+ -156:sc= -0.166 (180deg=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -10.595 -11.517 7.017 1.00 0.00 N ATOM 2 CA ILE A 1 -11.145 -10.317 7.708 1.00 0.00 C ATOM 3 C ILE A 1 -11.084 -9.116 6.767 1.00 0.00 C ATOM 4 O ILE A 1 -10.154 -8.969 5.966 1.00 0.00 O ATOM 5 CB ILE A 1 -10.345 -10.047 9.012 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.384 -8.553 9.379 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.891 -10.480 8.844 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.871 -8.360 10.806 1.00 0.00 C ATOM 0 H1 ILE A 1 -10.446 -12.279 7.709 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.266 -11.837 6.289 1.00 0.00 H new ATOM 0 H3 ILE A 1 -9.688 -11.275 6.569 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.186 -10.492 7.979 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.809 -10.624 9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -9.772 -7.981 8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -11.402 -8.174 9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -8.344 -10.284 9.766 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.852 -11.546 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.437 -9.920 8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.900 -7.301 11.063 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.501 -8.919 11.498 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.845 -8.723 10.876 1.00 0.00 H new ATOM 22 N HIS A 2 -12.082 -8.243 6.892 1.00 0.00 N ATOM 23 CA HIS A 2 -12.138 -7.051 6.102 1.00 0.00 C ATOM 24 C HIS A 2 -11.975 -5.857 7.032 1.00 0.00 C ATOM 25 O HIS A 2 -12.781 -5.670 7.943 1.00 0.00 O ATOM 26 CB HIS A 2 -13.540 -7.034 5.455 1.00 0.00 C ATOM 27 CG HIS A 2 -13.897 -5.671 4.942 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.198 -5.151 5.014 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.153 -4.732 4.302 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.183 -3.949 4.425 1.00 0.00 C ATOM 31 NE2 HIS A 2 -13.969 -3.638 3.969 1.00 0.00 N ATOM 0 H HIS A 2 -12.860 -8.355 7.542 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.359 -7.013 5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.571 -7.751 4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.282 -7.354 6.186 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.007 -5.605 5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.099 -4.814 4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.048 -3.309 4.331 1.00 0.00 H new ATOM 38 N VAL A 3 -10.968 -5.020 6.777 1.00 0.00 N ATOM 39 CA VAL A 3 -10.771 -3.816 7.586 1.00 0.00 C ATOM 40 C VAL A 3 -10.909 -2.594 6.698 1.00 0.00 C ATOM 41 O VAL A 3 -10.161 -2.446 5.731 1.00 0.00 O ATOM 42 CB VAL A 3 -9.386 -3.835 8.249 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.216 -2.557 9.089 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.243 -5.091 9.151 1.00 0.00 C ATOM 0 H VAL A 3 -10.286 -5.150 6.029 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.525 -3.783 8.373 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.613 -3.873 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.235 -2.562 9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.303 -1.683 8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.990 -2.520 9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.257 -5.095 9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.010 -5.072 9.926 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.362 -5.989 8.545 1.00 0.00 H new ATOM 54 N HIS A 4 -11.844 -1.707 7.031 1.00 0.00 N ATOM 55 CA HIS A 4 -12.041 -0.502 6.267 1.00 0.00 C ATOM 56 C HIS A 4 -11.796 0.733 7.117 1.00 0.00 C ATOM 57 O HIS A 4 -12.321 0.847 8.225 1.00 0.00 O ATOM 58 CB HIS A 4 -13.460 -0.513 5.672 1.00 0.00 C ATOM 59 CG HIS A 4 -13.517 0.410 4.486 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.802 -0.016 3.178 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.319 1.747 4.410 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.763 1.071 2.391 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.477 2.174 3.090 1.00 0.00 N ATOM 0 H HIS A 4 -12.472 -1.811 7.828 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.318 -0.466 5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.731 -1.525 5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.183 -0.199 6.425 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.075 2.387 5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.941 1.056 1.326 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.392 3.126 2.734 1.00 0.00 H new ATOM 71 N LEU A 5 -11.004 1.665 6.587 1.00 0.00 N ATOM 72 CA LEU A 5 -10.700 2.907 7.300 1.00 0.00 C ATOM 73 C LEU A 5 -11.164 4.108 6.490 1.00 0.00 C ATOM 74 O LEU A 5 -10.705 4.331 5.370 1.00 0.00 O ATOM 75 CB LEU A 5 -9.188 3.010 7.550 1.00 0.00 C ATOM 76 CG LEU A 5 -8.830 4.365 8.187 1.00 0.00 C ATOM 77 CD1 LEU A 5 -9.513 4.503 9.553 1.00 0.00 C ATOM 78 CD2 LEU A 5 -7.312 4.447 8.360 1.00 0.00 C ATOM 0 H LEU A 5 -10.563 1.585 5.671 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.226 2.898 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.867 2.199 8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.650 2.892 6.609 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.174 5.172 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.253 5.465 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.594 4.442 9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.178 3.700 10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.048 5.404 8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.975 3.636 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.830 4.359 7.386 1.00 0.00 H new ATOM 90 N GLN A 6 -12.040 4.907 7.087 1.00 0.00 N ATOM 91 CA GLN A 6 -12.528 6.124 6.448 1.00 0.00 C ATOM 92 C GLN A 6 -12.364 7.262 7.441 1.00 0.00 C ATOM 93 O GLN A 6 -12.951 7.241 8.523 1.00 0.00 O ATOM 94 CB GLN A 6 -13.994 5.969 6.036 1.00 0.00 C ATOM 95 CG GLN A 6 -14.450 7.228 5.294 1.00 0.00 C ATOM 96 CD GLN A 6 -15.931 7.127 4.952 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.773 7.026 5.845 1.00 0.00 O ATOM 98 NE2 GLN A 6 -16.298 7.139 3.699 1.00 0.00 N ATOM 0 H GLN A 6 -12.428 4.734 8.014 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.960 6.330 5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.113 5.094 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.616 5.808 6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.271 8.108 5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.866 7.354 4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.597 7.223 2.963 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.286 7.065 3.456 1.00 0.00 H new ATOM 107 N ILE A 7 -11.532 8.237 7.090 1.00 0.00 N ATOM 108 CA ILE A 7 -11.264 9.358 7.991 1.00 0.00 C ATOM 109 C ILE A 7 -11.135 10.665 7.211 1.00 0.00 C ATOM 110 O ILE A 7 -11.233 10.620 5.996 1.00 0.00 O ATOM 111 CB ILE A 7 -9.970 9.056 8.767 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.807 8.897 7.778 1.00 0.00 C ATOM 113 CG2 ILE A 7 -10.154 7.751 9.537 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.471 8.773 8.523 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.939 11.691 7.842 1.00 0.00 O ATOM 0 H ILE A 7 -11.036 8.277 6.200 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.094 9.478 8.687 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.752 9.872 9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.967 8.013 7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.775 9.755 7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.244 7.525 10.092 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.987 7.853 10.232 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.363 6.942 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.661 8.661 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.303 9.669 9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.498 7.901 9.176 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -7.969 -11.717 3.073 1.00 0.00 N ATOM 129 CA ILE C 1 -8.032 -10.481 3.903 1.00 0.00 C ATOM 130 C ILE C 1 -8.062 -9.264 2.987 1.00 0.00 C ATOM 131 O ILE C 1 -7.171 -9.079 2.150 1.00 0.00 O ATOM 132 CB ILE C 1 -6.800 -10.419 4.822 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.844 -11.610 5.788 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.809 -9.110 5.616 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.515 -11.725 6.537 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.409 -12.505 3.590 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.478 -11.562 2.180 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.976 -11.948 2.869 1.00 0.00 H new ATOM 0 HA ILE C 1 -8.933 -10.492 4.517 1.00 0.00 H new ATOM 0 HB ILE C 1 -5.891 -10.461 4.222 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.661 -11.483 6.498 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.041 -12.529 5.236 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -5.934 -9.072 6.265 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.786 -8.266 4.927 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -7.713 -9.059 6.223 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.555 -12.573 7.221 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.706 -11.873 5.822 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.336 -10.811 7.103 1.00 0.00 H new ATOM 149 N HIS C 2 -9.086 -8.422 3.144 1.00 0.00 N ATOM 150 CA HIS C 2 -9.180 -7.206 2.328 1.00 0.00 C ATOM 151 C HIS C 2 -8.971 -5.993 3.230 1.00 0.00 C ATOM 152 O HIS C 2 -9.717 -5.803 4.193 1.00 0.00 O ATOM 153 CB HIS C 2 -10.575 -7.120 1.666 1.00 0.00 C ATOM 154 CG HIS C 2 -10.605 -7.883 0.360 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.858 -7.258 -0.855 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.450 -9.217 0.065 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.849 -8.208 -1.810 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.605 -9.418 -1.303 1.00 0.00 N ATOM 0 H HIS C 2 -9.846 -8.553 3.812 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.419 -7.230 1.548 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.328 -7.523 2.343 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.833 -6.076 1.487 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.240 -9.992 0.787 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.019 -8.014 -2.859 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.545 -10.301 -1.810 1.00 0.00 H new ATOM 166 N VAL C 3 -7.994 -5.148 2.898 1.00 0.00 N ATOM 167 CA VAL C 3 -7.755 -3.928 3.674 1.00 0.00 C ATOM 168 C VAL C 3 -8.022 -2.710 2.794 1.00 0.00 C ATOM 169 O VAL C 3 -7.433 -2.581 1.717 1.00 0.00 O ATOM 170 CB VAL C 3 -6.313 -3.906 4.190 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.086 -2.633 5.015 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.060 -5.146 5.064 1.00 0.00 C ATOM 0 H VAL C 3 -7.362 -5.282 2.108 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.428 -3.906 4.531 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.623 -3.916 3.346 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.060 -2.616 5.383 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.262 -1.758 4.389 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.775 -2.619 5.860 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.034 -5.129 5.431 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.748 -5.141 5.910 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.219 -6.047 4.472 1.00 0.00 H new ATOM 182 N HIS C 4 -8.897 -1.813 3.248 1.00 0.00 N ATOM 183 CA HIS C 4 -9.217 -0.600 2.476 1.00 0.00 C ATOM 184 C HIS C 4 -8.843 0.652 3.279 1.00 0.00 C ATOM 185 O HIS C 4 -9.230 0.779 4.442 1.00 0.00 O ATOM 186 CB HIS C 4 -10.730 -0.583 2.128 1.00 0.00 C ATOM 187 CG HIS C 4 -11.151 -1.832 1.343 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.383 -2.466 1.551 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.529 -2.572 0.352 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.450 -3.519 0.715 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.351 -3.634 -0.036 1.00 0.00 N ATOM 0 H HIS C 4 -9.395 -1.896 4.135 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.640 -0.604 1.551 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.313 -0.518 3.047 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -10.958 0.308 1.542 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.553 -2.360 -0.060 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.293 -4.192 0.658 1.00 0.00 H new ATOM 198 N LEU C 5 -8.108 1.585 2.661 1.00 0.00 N ATOM 199 CA LEU C 5 -7.716 2.831 3.346 1.00 0.00 C ATOM 200 C LEU C 5 -8.231 4.036 2.569 1.00 0.00 C ATOM 201 O LEU C 5 -7.940 4.190 1.383 1.00 0.00 O ATOM 202 CB LEU C 5 -6.194 2.916 3.443 1.00 0.00 C ATOM 203 CG LEU C 5 -5.636 1.668 4.132 1.00 0.00 C ATOM 204 CD1 LEU C 5 -4.100 1.745 4.150 1.00 0.00 C ATOM 205 CD2 LEU C 5 -6.178 1.576 5.569 1.00 0.00 C ATOM 0 H LEU C 5 -7.774 1.507 1.700 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.147 2.829 4.347 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.764 3.013 2.446 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.907 3.807 4.001 1.00 0.00 H new ATOM 0 HG LEU C 5 -5.947 0.778 3.585 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -3.697 0.859 4.640 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -3.726 1.796 3.127 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -3.787 2.635 4.696 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.777 0.686 6.053 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -5.876 2.461 6.129 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -7.266 1.516 5.544 1.00 0.00 H new ATOM 217 N GLN C 6 -8.979 4.902 3.248 1.00 0.00 N ATOM 218 CA GLN C 6 -9.511 6.110 2.617 1.00 0.00 C ATOM 219 C GLN C 6 -9.374 7.278 3.583 1.00 0.00 C ATOM 220 O GLN C 6 -9.980 7.282 4.658 1.00 0.00 O ATOM 221 CB GLN C 6 -10.982 5.902 2.234 1.00 0.00 C ATOM 222 CG GLN C 6 -11.507 7.136 1.490 1.00 0.00 C ATOM 223 CD GLN C 6 -12.994 6.977 1.188 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.807 6.842 2.103 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.400 6.981 -0.052 1.00 0.00 N ATOM 0 H GLN C 6 -9.230 4.792 4.230 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.949 6.326 1.708 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.081 5.018 1.605 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.578 5.725 3.129 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.345 8.029 2.093 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.953 7.273 0.562 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.726 7.093 -0.809 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.392 6.872 -0.264 1.00 0.00 H new ATOM 234 N ILE C 7 -8.562 8.268 3.206 1.00 0.00 N ATOM 235 CA ILE C 7 -8.344 9.436 4.073 1.00 0.00 C ATOM 236 C ILE C 7 -8.438 10.731 3.262 1.00 0.00 C ATOM 237 O ILE C 7 -8.604 10.641 2.057 1.00 0.00 O ATOM 238 CB ILE C 7 -6.968 9.308 4.775 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.868 9.939 3.907 1.00 0.00 C ATOM 240 CG2 ILE C 7 -6.661 7.824 5.017 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.492 9.513 4.405 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.342 11.789 3.861 1.00 0.00 O ATOM 0 H ILE C 7 -8.051 8.289 2.323 1.00 0.00 H new ATOM 0 HA ILE C 7 -9.121 9.471 4.837 1.00 0.00 H new ATOM 0 HB ILE C 7 -6.999 9.834 5.729 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -5.996 9.636 2.868 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -5.952 11.025 3.934 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -5.694 7.728 5.511 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -7.436 7.391 5.649 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.635 7.298 4.063 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -3.722 9.967 3.781 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.362 9.839 5.437 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.407 8.428 4.354 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -4.707 -11.508 -0.784 1.00 0.00 N ATOM 256 CA ILE E 1 -5.240 -10.310 -0.075 1.00 0.00 C ATOM 257 C ILE E 1 -5.272 -9.125 -1.030 1.00 0.00 C ATOM 258 O ILE E 1 -4.412 -8.982 -1.908 1.00 0.00 O ATOM 259 CB ILE E 1 -4.358 -9.989 1.162 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.326 -8.473 1.437 1.00 0.00 C ATOM 261 CG2 ILE E 1 -2.926 -10.469 0.932 1.00 0.00 C ATOM 262 CD1 ILE E 1 -3.749 -8.231 2.820 1.00 0.00 C ATOM 0 H1 ILE E 1 -4.558 -12.278 -0.101 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.388 -11.814 -1.508 1.00 0.00 H new ATOM 0 H3 ILE E 1 -3.803 -11.269 -1.239 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.254 -10.513 0.269 1.00 0.00 H new ATOM 0 HB ILE E 1 -4.793 -10.505 2.018 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -3.722 -7.967 0.684 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -5.332 -8.058 1.371 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -2.319 -10.237 1.807 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -2.926 -11.546 0.765 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -2.510 -9.967 0.059 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -3.723 -7.160 3.021 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -4.372 -8.726 3.566 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.737 -8.633 2.868 1.00 0.00 H new ATOM 276 N HIS E 2 -6.256 -8.251 -0.818 1.00 0.00 N ATOM 277 CA HIS E 2 -6.373 -7.062 -1.614 1.00 0.00 C ATOM 278 C HIS E 2 -6.132 -5.858 -0.719 1.00 0.00 C ATOM 279 O HIS E 2 -6.870 -5.652 0.244 1.00 0.00 O ATOM 280 CB HIS E 2 -7.819 -7.021 -2.149 1.00 0.00 C ATOM 281 CG HIS E 2 -8.159 -5.662 -2.698 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.407 -5.040 -2.506 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.438 -4.816 -3.479 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.381 -3.881 -3.171 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.214 -3.685 -3.783 1.00 0.00 N ATOM 0 H HIS E 2 -6.974 -8.357 -0.101 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.655 -7.052 -2.434 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -7.942 -7.772 -2.929 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.513 -7.276 -1.348 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.426 -4.986 -3.814 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.207 -3.186 -3.208 1.00 0.00 H new ATOM 292 N VAL E 3 -5.148 -5.026 -1.062 1.00 0.00 N ATOM 293 CA VAL E 3 -4.902 -3.807 -0.291 1.00 0.00 C ATOM 294 C VAL E 3 -5.107 -2.606 -1.193 1.00 0.00 C ATOM 295 O VAL E 3 -4.417 -2.474 -2.205 1.00 0.00 O ATOM 296 CB VAL E 3 -3.474 -3.807 0.273 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.255 -2.516 1.080 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.256 -5.048 1.179 1.00 0.00 C ATOM 0 H VAL E 3 -4.520 -5.169 -1.853 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.598 -3.762 0.547 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.758 -3.851 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.243 -2.507 1.485 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.393 -1.652 0.429 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.973 -2.472 1.899 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.240 -5.037 1.573 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.966 -5.024 2.006 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.409 -5.956 0.595 1.00 0.00 H new ATOM 308 N HIS E 4 -6.029 -1.717 -0.827 1.00 0.00 N ATOM 309 CA HIS E 4 -6.274 -0.531 -1.607 1.00 0.00 C ATOM 310 C HIS E 4 -5.997 0.724 -0.800 1.00 0.00 C ATOM 311 O HIS E 4 -6.468 0.859 0.331 1.00 0.00 O ATOM 312 CB HIS E 4 -7.717 -0.567 -2.139 1.00 0.00 C ATOM 313 CG HIS E 4 -7.835 0.341 -3.333 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.147 -0.104 -4.631 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.682 1.683 -3.424 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.167 0.979 -5.425 1.00 0.00 C ATOM 317 NE2 HIS E 4 -7.893 2.095 -4.741 1.00 0.00 N ATOM 0 H HIS E 4 -6.612 -1.806 0.005 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.591 -0.508 -2.456 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -7.989 -1.586 -2.415 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.411 -0.252 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.434 2.337 -2.601 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.378 0.952 -6.484 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.848 3.047 -5.105 1.00 0.00 H new ATOM 325 N LEU E 5 -5.237 1.650 -1.388 1.00 0.00 N ATOM 326 CA LEU E 5 -4.910 2.906 -0.713 1.00 0.00 C ATOM 327 C LEU E 5 -5.418 4.097 -1.511 1.00 0.00 C ATOM 328 O LEU E 5 -5.023 4.309 -2.658 1.00 0.00 O ATOM 329 CB LEU E 5 -3.390 3.018 -0.518 1.00 0.00 C ATOM 330 CG LEU E 5 -3.014 4.383 0.080 1.00 0.00 C ATOM 331 CD1 LEU E 5 -3.655 4.542 1.462 1.00 0.00 C ATOM 332 CD2 LEU E 5 -1.490 4.469 0.205 1.00 0.00 C ATOM 0 H LEU E 5 -4.840 1.555 -2.323 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.399 2.909 0.261 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -3.044 2.220 0.139 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.885 2.884 -1.475 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.377 5.179 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -3.384 5.512 1.879 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -4.739 4.477 1.370 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -3.299 3.751 2.122 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -1.214 5.435 0.629 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -1.133 3.671 0.856 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -1.037 4.362 -0.781 1.00 0.00 H new ATOM 344 N GLN E 6 -6.266 4.900 -0.872 1.00 0.00 N ATOM 345 CA GLN E 6 -6.797 6.109 -1.495 1.00 0.00 C ATOM 346 C GLN E 6 -6.600 7.267 -0.530 1.00 0.00 C ATOM 347 O GLN E 6 -7.139 7.273 0.585 1.00 0.00 O ATOM 348 CB GLN E 6 -8.278 5.933 -1.839 1.00 0.00 C ATOM 349 CG GLN E 6 -8.778 7.178 -2.578 1.00 0.00 C ATOM 350 CD GLN E 6 -10.270 7.060 -2.857 1.00 0.00 C ATOM 351 OE1 GLN E 6 -11.077 6.978 -1.929 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.682 7.033 -4.095 1.00 0.00 N ATOM 0 H GLN E 6 -6.600 4.735 0.077 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.269 6.311 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.416 5.048 -2.460 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.858 5.778 -0.929 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.582 8.068 -1.980 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -8.234 7.297 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -10.009 7.101 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.677 6.944 -4.299 1.00 0.00 H new ATOM 361 N ILE E 7 -5.792 8.235 -0.944 1.00 0.00 N ATOM 362 CA ILE E 7 -5.492 9.374 -0.084 1.00 0.00 C ATOM 363 C ILE E 7 -5.392 10.663 -0.899 1.00 0.00 C ATOM 364 O ILE E 7 -5.546 10.590 -2.107 1.00 0.00 O ATOM 365 CB ILE E 7 -4.171 9.077 0.650 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.031 8.969 -0.374 1.00 0.00 C ATOM 367 CG2 ILE E 7 -4.306 7.740 1.377 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.674 8.827 0.328 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.164 11.702 -0.302 1.00 0.00 O ATOM 0 H ILE E 7 -5.338 8.256 -1.857 1.00 0.00 H new ATOM 0 HA ILE E 7 -6.295 9.520 0.639 1.00 0.00 H new ATOM 0 HB ILE E 7 -3.954 9.876 1.359 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.200 8.110 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.024 9.853 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -3.377 7.516 1.902 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -5.124 7.797 2.095 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.513 6.952 0.653 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -0.884 8.752 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.497 9.699 0.957 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.676 7.928 0.945 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.894 -11.765 -4.676 1.00 0.00 N ATOM 383 CA ILE G 1 -1.946 -10.522 -3.856 1.00 0.00 C ATOM 384 C ILE G 1 -2.018 -9.314 -4.780 1.00 0.00 C ATOM 385 O ILE G 1 -1.136 -9.109 -5.621 1.00 0.00 O ATOM 386 CB ILE G 1 -0.685 -10.435 -2.983 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.675 -11.621 -2.010 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.685 -9.117 -2.202 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.679 -11.704 -1.303 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.585 -12.451 -4.310 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.122 -11.538 -5.665 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.939 -12.174 -4.626 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.827 -10.539 -3.214 1.00 0.00 H new ATOM 0 HB ILE G 1 0.205 -10.468 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.472 -11.506 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.870 -12.547 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.211 -9.060 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.698 -8.280 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.568 -9.072 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.678 -12.548 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.468 -11.840 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.857 -10.783 -0.748 1.00 0.00 H new ATOM 403 N HIS G 2 -3.066 -8.500 -4.624 1.00 0.00 N ATOM 404 CA HIS G 2 -3.201 -7.296 -5.451 1.00 0.00 C ATOM 405 C HIS G 2 -3.008 -6.067 -4.568 1.00 0.00 C ATOM 406 O HIS G 2 -3.738 -5.880 -3.592 1.00 0.00 O ATOM 407 CB HIS G 2 -4.608 -7.252 -6.092 1.00 0.00 C ATOM 408 CG HIS G 2 -4.638 -8.027 -7.390 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.914 -7.419 -8.609 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.459 -9.361 -7.676 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.895 -8.375 -9.555 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.622 -9.576 -9.041 1.00 0.00 N ATOM 0 H HIS G 2 -3.817 -8.646 -3.950 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.451 -7.310 -6.242 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.340 -7.668 -5.399 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.895 -6.217 -6.276 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.227 -10.126 -6.950 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.078 -8.193 -10.604 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.549 -10.462 -9.542 1.00 0.00 H new ATOM 420 N VAL G 3 -2.057 -5.206 -4.935 1.00 0.00 N ATOM 421 CA VAL G 3 -1.825 -3.970 -4.186 1.00 0.00 C ATOM 422 C VAL G 3 -2.142 -2.774 -5.080 1.00 0.00 C ATOM 423 O VAL G 3 -1.585 -2.654 -6.173 1.00 0.00 O ATOM 424 CB VAL G 3 -0.368 -3.911 -3.718 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.137 -2.621 -2.922 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.063 -5.131 -2.832 1.00 0.00 C ATOM 0 H VAL G 3 -1.441 -5.339 -5.737 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.473 -3.945 -3.310 1.00 0.00 H new ATOM 0 HB VAL G 3 0.293 -3.922 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.900 -2.580 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.350 -1.760 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.797 -2.605 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.974 -5.089 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.723 -5.125 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.224 -6.045 -3.404 1.00 0.00 H new ATOM 436 N HIS G 4 -3.026 -1.886 -4.622 1.00 0.00 N ATOM 437 CA HIS G 4 -3.389 -0.696 -5.411 1.00 0.00 C ATOM 438 C HIS G 4 -3.020 0.580 -4.647 1.00 0.00 C ATOM 439 O HIS G 4 -3.384 0.728 -3.478 1.00 0.00 O ATOM 440 CB HIS G 4 -4.911 -0.713 -5.725 1.00 0.00 C ATOM 441 CG HIS G 4 -5.321 -1.978 -6.488 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.541 -2.629 -6.261 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.692 -2.724 -7.470 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.593 -3.698 -7.077 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.497 -3.805 -7.832 1.00 0.00 N ATOM 0 H HIS G 4 -3.501 -1.961 -3.722 1.00 0.00 H new ATOM 0 HA HIS G 4 -2.834 -0.712 -6.349 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.475 -0.651 -4.794 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.170 0.167 -6.314 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.723 -2.503 -7.893 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.423 -4.388 -7.116 1.00 0.00 H new ATOM 452 N LEU G 5 -2.315 1.511 -5.305 1.00 0.00 N ATOM 453 CA LEU G 5 -1.930 2.778 -4.657 1.00 0.00 C ATOM 454 C LEU G 5 -2.488 3.959 -5.441 1.00 0.00 C ATOM 455 O LEU G 5 -2.219 4.107 -6.634 1.00 0.00 O ATOM 456 CB LEU G 5 -0.408 2.894 -4.593 1.00 0.00 C ATOM 457 CG LEU G 5 0.190 1.670 -3.891 1.00 0.00 C ATOM 458 CD1 LEU G 5 1.723 1.781 -3.901 1.00 0.00 C ATOM 459 CD2 LEU G 5 -0.325 1.591 -2.444 1.00 0.00 C ATOM 0 H LEU G 5 -2.002 1.416 -6.271 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.339 2.787 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.000 2.979 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.128 3.801 -4.058 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.111 0.764 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU G 5 2.154 0.913 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU G 5 2.078 1.822 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU G 5 2.026 2.687 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.105 0.718 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU G 5 -0.034 2.492 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -1.412 1.506 -2.449 1.00 0.00 H new ATOM 471 N GLN G 6 -3.247 4.811 -4.758 1.00 0.00 N ATOM 472 CA GLN G 6 -3.822 5.999 -5.388 1.00 0.00 C ATOM 473 C GLN G 6 -3.682 7.180 -4.441 1.00 0.00 C ATOM 474 O GLN G 6 -4.261 7.188 -3.350 1.00 0.00 O ATOM 475 CB GLN G 6 -5.302 5.756 -5.721 1.00 0.00 C ATOM 476 CG GLN G 6 -5.876 6.971 -6.461 1.00 0.00 C ATOM 477 CD GLN G 6 -7.369 6.780 -6.716 1.00 0.00 C ATOM 478 OE1 GLN G 6 -8.160 6.658 -5.775 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.803 6.744 -7.947 1.00 0.00 N ATOM 0 H GLN G 6 -3.479 4.703 -3.771 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.292 6.214 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.403 4.863 -6.337 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.865 5.577 -4.805 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.713 7.874 -5.872 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.353 7.109 -7.407 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -7.148 6.845 -8.722 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.797 6.615 -8.134 1.00 0.00 H new ATOM 488 N ILE G 7 -2.899 8.179 -4.852 1.00 0.00 N ATOM 489 CA ILE G 7 -2.679 9.361 -4.009 1.00 0.00 C ATOM 490 C ILE G 7 -2.828 10.643 -4.832 1.00 0.00 C ATOM 491 O ILE G 7 -3.025 10.534 -6.031 1.00 0.00 O ATOM 492 CB ILE G 7 -1.279 9.271 -3.350 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.219 9.899 -4.264 1.00 0.00 C ATOM 494 CG2 ILE G 7 -0.935 7.798 -3.091 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.179 9.530 -3.783 1.00 0.00 C ATOM 496 OXT ILE G 7 -2.744 11.711 -4.249 1.00 0.00 O ATOM 0 H ILE G 7 -2.412 8.197 -5.748 1.00 0.00 H new ATOM 0 HA ILE G 7 -3.432 9.390 -3.221 1.00 0.00 H new ATOM 0 HB ILE G 7 -1.292 9.816 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.362 9.554 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.333 10.983 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE G 7 0.049 7.730 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -1.680 7.362 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -0.929 7.254 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.921 9.982 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.323 9.897 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.294 8.446 -3.797 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 1.341 -11.572 -8.526 1.00 0.00 N ATOM 510 CA ILE I 1 0.812 -10.371 -7.819 1.00 0.00 C ATOM 511 C ILE I 1 0.719 -9.205 -8.794 1.00 0.00 C ATOM 512 O ILE I 1 1.548 -9.061 -9.697 1.00 0.00 O ATOM 513 CB ILE I 1 1.738 -10.008 -6.627 1.00 0.00 C ATOM 514 CG1 ILE I 1 1.755 -8.486 -6.390 1.00 0.00 C ATOM 515 CG2 ILE I 1 3.165 -10.475 -6.911 1.00 0.00 C ATOM 516 CD1 ILE I 1 2.378 -8.200 -5.038 1.00 0.00 C ATOM 0 H1 ILE I 1 1.548 -12.320 -7.833 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.632 -11.916 -9.205 1.00 0.00 H new ATOM 0 H3 ILE I 1 2.213 -11.320 -9.034 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.183 -10.588 -7.431 1.00 0.00 H new ATOM 0 HB ILE I 1 1.351 -10.506 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE I 1 2.322 -7.989 -7.178 1.00 0.00 H new ATOM 0 HG13 ILE I 1 0.741 -8.088 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.807 -10.216 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE I 1 3.173 -11.556 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE I 1 3.535 -9.987 -7.813 1.00 0.00 H new ATOM 0 HD11 ILE I 1 2.393 -7.124 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE I 1 1.792 -8.685 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.398 -8.585 -5.019 1.00 0.00 H new ATOM 530 N HIS I 2 -0.274 -8.346 -8.566 1.00 0.00 N ATOM 531 CA HIS I 2 -0.439 -7.173 -9.379 1.00 0.00 C ATOM 532 C HIS I 2 -0.188 -5.947 -8.512 1.00 0.00 C ATOM 533 O HIS I 2 -0.896 -5.737 -7.527 1.00 0.00 O ATOM 534 CB HIS I 2 -1.902 -7.160 -9.867 1.00 0.00 C ATOM 535 CG HIS I 2 -2.264 -5.822 -10.451 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.517 -5.210 -10.265 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.557 -4.983 -11.253 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.506 -4.061 -10.949 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.346 -3.866 -11.571 1.00 0.00 N ATOM 0 H HIS I 2 -0.967 -8.452 -7.825 1.00 0.00 H new ATOM 0 HA HIS I 2 0.250 -7.170 -10.223 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.046 -7.939 -10.616 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.568 -7.390 -9.036 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.546 -5.150 -11.593 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.338 -3.374 -10.991 1.00 0.00 H new ATOM 546 N VAL I 3 0.768 -5.105 -8.904 1.00 0.00 N ATOM 547 CA VAL I 3 1.021 -3.868 -8.164 1.00 0.00 C ATOM 548 C VAL I 3 0.765 -2.687 -9.078 1.00 0.00 C ATOM 549 O VAL I 3 1.417 -2.562 -10.116 1.00 0.00 O ATOM 550 CB VAL I 3 2.470 -3.832 -7.657 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.697 -2.523 -6.883 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.743 -5.051 -6.739 1.00 0.00 C ATOM 0 H VAL I 3 1.370 -5.252 -9.714 1.00 0.00 H new ATOM 0 HA VAL I 3 0.355 -3.821 -7.302 1.00 0.00 H new ATOM 0 HB VAL I 3 3.155 -3.878 -8.503 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.724 -2.489 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.518 -1.674 -7.543 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.011 -2.477 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.773 -5.016 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.065 -5.023 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.583 -5.972 -7.300 1.00 0.00 H new ATOM 562 N HIS I 4 -0.158 -1.806 -8.695 1.00 0.00 N ATOM 563 CA HIS I 4 -0.446 -0.639 -9.488 1.00 0.00 C ATOM 564 C HIS I 4 -0.168 0.637 -8.720 1.00 0.00 C ATOM 565 O HIS I 4 -0.609 0.792 -7.579 1.00 0.00 O ATOM 566 CB HIS I 4 -1.901 -0.712 -9.982 1.00 0.00 C ATOM 567 CG HIS I 4 -2.067 0.167 -11.190 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.390 -0.312 -12.473 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.960 1.511 -11.310 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.463 0.753 -13.287 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.213 1.891 -12.630 1.00 0.00 N ATOM 0 H HIS I 4 -0.711 -1.888 -7.842 1.00 0.00 H new ATOM 0 HA HIS I 4 0.215 -0.621 -10.354 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.160 -1.741 -10.230 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.581 -0.394 -9.192 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.715 2.188 -10.505 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.695 0.698 -14.340 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.208 2.837 -13.012 1.00 0.00 H new ATOM 579 N LEU I 5 0.559 1.561 -9.355 1.00 0.00 N ATOM 580 CA LEU I 5 0.884 2.839 -8.720 1.00 0.00 C ATOM 581 C LEU I 5 0.328 4.005 -9.524 1.00 0.00 C ATOM 582 O LEU I 5 0.688 4.205 -10.685 1.00 0.00 O ATOM 583 CB LEU I 5 2.405 2.979 -8.573 1.00 0.00 C ATOM 584 CG LEU I 5 2.772 4.360 -8.010 1.00 0.00 C ATOM 585 CD1 LEU I 5 2.152 4.537 -6.619 1.00 0.00 C ATOM 586 CD2 LEU I 5 4.296 4.468 -7.912 1.00 0.00 C ATOM 0 H LEU I 5 0.930 1.449 -10.299 1.00 0.00 H new ATOM 0 HA LEU I 5 0.424 2.857 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.785 2.199 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.883 2.837 -9.542 1.00 0.00 H new ATOM 0 HG LEU I 5 2.388 5.138 -8.670 1.00 0.00 H new ATOM 0 HD11 LEU I 5 2.416 5.518 -6.225 1.00 0.00 H new ATOM 0 HD12 LEU I 5 1.067 4.455 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU I 5 2.531 3.764 -5.951 1.00 0.00 H new ATOM 0 HD21 LEU I 5 4.567 5.446 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU I 5 4.674 3.689 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU I 5 4.734 4.347 -8.903 1.00 0.00 H new ATOM 598 N GLN I 6 -0.521 4.800 -8.874 1.00 0.00 N ATOM 599 CA GLN I 6 -1.097 5.986 -9.502 1.00 0.00 C ATOM 600 C GLN I 6 -0.895 7.170 -8.571 1.00 0.00 C ATOM 601 O GLN I 6 -1.419 7.202 -7.447 1.00 0.00 O ATOM 602 CB GLN I 6 -2.585 5.774 -9.794 1.00 0.00 C ATOM 603 CG GLN I 6 -3.140 7.002 -10.523 1.00 0.00 C ATOM 604 CD GLN I 6 -4.636 6.846 -10.757 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.418 6.763 -9.806 1.00 0.00 O ATOM 606 NE2 GLN I 6 -5.078 6.781 -11.984 1.00 0.00 N ATOM 0 H GLN I 6 -0.825 4.643 -7.913 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.601 6.177 -10.453 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.724 4.882 -10.404 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -3.130 5.612 -8.864 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.949 7.900 -9.935 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.627 7.130 -11.476 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -4.426 6.850 -12.765 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -6.075 6.661 -12.161 1.00 0.00 H new ATOM 615 N ILE I 7 -0.104 8.135 -9.031 1.00 0.00 N ATOM 616 CA ILE I 7 0.202 9.305 -8.216 1.00 0.00 C ATOM 617 C ILE I 7 0.270 10.567 -9.073 1.00 0.00 C ATOM 618 O ILE I 7 0.087 10.456 -10.274 1.00 0.00 O ATOM 619 CB ILE I 7 1.543 9.046 -7.502 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.675 8.943 -8.541 1.00 0.00 C ATOM 621 CG2 ILE I 7 1.446 7.715 -6.756 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.041 8.820 -7.851 1.00 0.00 C ATOM 623 OXT ILE I 7 0.503 11.626 -8.514 1.00 0.00 O ATOM 0 H ILE I 7 0.332 8.131 -9.953 1.00 0.00 H new ATOM 0 HA ILE I 7 -0.587 9.466 -7.481 1.00 0.00 H new ATOM 0 HB ILE I 7 1.754 9.863 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.508 8.078 -9.183 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.666 9.823 -9.184 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.387 7.515 -6.244 1.00 0.00 H new ATOM 0 HG22 ILE I 7 0.639 7.766 -6.025 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.242 6.914 -7.466 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.825 8.749 -8.605 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.215 9.698 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.055 7.926 -7.228 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.287 -11.851 -12.305 1.00 0.00 N ATOM 637 CA ILE K 1 4.258 -10.593 -11.505 1.00 0.00 C ATOM 638 C ILE K 1 4.125 -9.404 -12.442 1.00 0.00 C ATOM 639 O ILE K 1 5.004 -9.164 -13.270 1.00 0.00 O ATOM 640 CB ILE K 1 5.563 -10.465 -10.712 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.647 -11.622 -9.712 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.590 -9.124 -9.975 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.038 -11.658 -9.085 1.00 0.00 C ATOM 0 H1 ILE K 1 3.894 -12.631 -11.740 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.719 -11.727 -13.167 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.269 -12.074 -12.566 1.00 0.00 H new ATOM 0 HA ILE K 1 3.412 -10.617 -10.818 1.00 0.00 H new ATOM 0 HB ILE K 1 6.417 -10.506 -11.388 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.891 -11.501 -8.936 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.439 -12.566 -10.215 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.519 -9.037 -9.412 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.525 -8.310 -10.697 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.744 -9.068 -9.290 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.095 -12.482 -8.374 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.785 -11.800 -9.866 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.228 -10.718 -8.567 1.00 0.00 H new ATOM 657 N HIS K 2 3.036 -8.643 -12.303 1.00 0.00 N ATOM 658 CA HIS K 2 2.841 -7.463 -13.151 1.00 0.00 C ATOM 659 C HIS K 2 3.020 -6.205 -12.306 1.00 0.00 C ATOM 660 O HIS K 2 2.323 -6.015 -11.308 1.00 0.00 O ATOM 661 CB HIS K 2 1.413 -7.476 -13.743 1.00 0.00 C ATOM 662 CG HIS K 2 1.363 -8.270 -15.026 1.00 0.00 C ATOM 663 ND1 HIS K 2 1.034 -7.685 -16.243 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.567 -9.603 -15.297 1.00 0.00 C ATOM 665 CE1 HIS K 2 1.049 -8.655 -17.176 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.368 -9.842 -16.653 1.00 0.00 N ATOM 0 H HIS K 2 2.291 -8.816 -11.628 1.00 0.00 H new ATOM 0 HA HIS K 2 3.570 -7.475 -13.962 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.720 -7.905 -13.019 1.00 0.00 H new ATOM 0 HB3 HIS K 2 1.085 -6.454 -13.931 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.840 -10.351 -14.567 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.830 -8.493 -18.221 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.448 -10.733 -17.143 1.00 0.00 H new ATOM 674 N VAL K 3 3.929 -5.329 -12.734 1.00 0.00 N ATOM 675 CA VAL K 3 4.157 -4.066 -12.032 1.00 0.00 C ATOM 676 C VAL K 3 3.760 -2.909 -12.948 1.00 0.00 C ATOM 677 O VAL K 3 4.267 -2.808 -14.065 1.00 0.00 O ATOM 678 CB VAL K 3 5.639 -3.956 -11.651 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.885 -2.637 -10.916 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.028 -5.135 -10.742 1.00 0.00 C ATOM 0 H VAL K 3 4.515 -5.469 -13.557 1.00 0.00 H new ATOM 0 HA VAL K 3 3.555 -4.028 -11.124 1.00 0.00 H new ATOM 0 HB VAL K 3 6.246 -3.983 -12.556 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.938 -2.562 -10.647 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.616 -1.803 -11.565 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.276 -2.605 -10.012 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.081 -5.055 -10.473 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.420 -5.114 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.859 -6.073 -11.271 1.00 0.00 H new ATOM 690 N HIS K 4 2.867 -2.030 -12.481 1.00 0.00 N ATOM 691 CA HIS K 4 2.438 -0.877 -13.296 1.00 0.00 C ATOM 692 C HIS K 4 2.801 0.434 -12.590 1.00 0.00 C ATOM 693 O HIS K 4 2.484 0.615 -11.411 1.00 0.00 O ATOM 694 CB HIS K 4 0.907 -0.941 -13.558 1.00 0.00 C ATOM 695 CG HIS K 4 0.508 -2.228 -14.283 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.696 -2.897 -14.018 1.00 0.00 N ATOM 697 CD2 HIS K 4 1.129 -2.979 -15.262 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.744 -3.982 -14.812 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.339 -4.080 -15.589 1.00 0.00 N ATOM 0 H HIS K 4 2.431 -2.088 -11.561 1.00 0.00 H new ATOM 0 HA HIS K 4 2.957 -0.914 -14.254 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.373 -0.877 -12.610 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.604 -0.080 -14.153 1.00 0.00 H new ATOM 0 HD2 HIS K 4 2.085 -2.747 -15.708 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.560 -4.689 -14.820 1.00 0.00 H new ATOM 706 N LEU K 5 3.451 1.356 -13.312 1.00 0.00 N ATOM 707 CA LEU K 5 3.836 2.654 -12.732 1.00 0.00 C ATOM 708 C LEU K 5 3.199 3.795 -13.514 1.00 0.00 C ATOM 709 O LEU K 5 3.403 3.924 -14.721 1.00 0.00 O ATOM 710 CB LEU K 5 5.358 2.808 -12.765 1.00 0.00 C ATOM 711 CG LEU K 5 6.023 1.631 -12.036 1.00 0.00 C ATOM 712 CD1 LEU K 5 7.548 1.789 -12.108 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.569 1.592 -10.566 1.00 0.00 C ATOM 0 H LEU K 5 3.720 1.232 -14.288 1.00 0.00 H new ATOM 0 HA LEU K 5 3.486 2.689 -11.700 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.705 2.849 -13.797 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.647 3.748 -12.294 1.00 0.00 H new ATOM 0 HG LEU K 5 5.729 0.697 -12.516 1.00 0.00 H new ATOM 0 HD11 LEU K 5 8.025 0.956 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU K 5 7.864 1.798 -13.151 1.00 0.00 H new ATOM 0 HD13 LEU K 5 7.840 2.725 -11.632 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.047 0.753 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU K 5 5.851 2.522 -10.073 1.00 0.00 H new ATOM 0 HD23 LEU K 5 4.486 1.473 -10.523 1.00 0.00 H new ATOM 725 N GLN K 6 2.445 4.638 -12.811 1.00 0.00 N ATOM 726 CA GLN K 6 1.798 5.791 -13.435 1.00 0.00 C ATOM 727 C GLN K 6 1.948 6.995 -12.518 1.00 0.00 C ATOM 728 O GLN K 6 1.437 7.005 -11.394 1.00 0.00 O ATOM 729 CB GLN K 6 0.314 5.492 -13.693 1.00 0.00 C ATOM 730 CG GLN K 6 -0.334 6.668 -14.435 1.00 0.00 C ATOM 731 CD GLN K 6 -1.833 6.423 -14.616 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.573 6.292 -13.639 1.00 0.00 O ATOM 733 NE2 GLN K 6 -2.326 6.350 -15.822 1.00 0.00 N ATOM 0 H GLN K 6 2.267 4.545 -11.811 1.00 0.00 H new ATOM 0 HA GLN K 6 2.271 6.004 -14.394 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.215 4.580 -14.282 1.00 0.00 H new ATOM 0 HB3 GLN K 6 -0.201 5.319 -12.748 1.00 0.00 H new ATOM 0 HG2 GLN K 6 -0.175 7.591 -13.877 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.140 6.798 -15.408 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.714 6.458 -16.631 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -3.324 6.185 -15.956 1.00 0.00 H new ATOM 742 N ILE K 7 2.671 8.008 -12.994 1.00 0.00 N ATOM 743 CA ILE K 7 2.911 9.209 -12.198 1.00 0.00 C ATOM 744 C ILE K 7 2.676 10.464 -13.040 1.00 0.00 C ATOM 745 O ILE K 7 2.425 10.321 -14.225 1.00 0.00 O ATOM 746 CB ILE K 7 4.355 9.164 -11.641 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.361 9.723 -12.668 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.730 7.714 -11.317 1.00 0.00 C ATOM 749 CD1 ILE K 7 6.797 9.487 -12.181 1.00 0.00 C ATOM 750 OXT ILE K 7 2.751 11.548 -12.485 1.00 0.00 O ATOM 0 H ILE K 7 3.098 8.021 -13.920 1.00 0.00 H new ATOM 0 HA ILE K 7 2.213 9.244 -11.362 1.00 0.00 H new ATOM 0 HB ILE K 7 4.394 9.777 -10.741 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.212 9.241 -13.634 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.189 10.789 -12.814 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.746 7.680 -10.925 1.00 0.00 H new ATOM 0 HG22 ILE K 7 4.040 7.318 -10.572 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.671 7.112 -12.223 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.500 9.885 -12.913 1.00 0.00 H new ATOM 0 HD12 ILE K 7 6.944 9.990 -11.225 1.00 0.00 H new ATOM 0 HD13 ILE K 7 6.968 8.418 -12.058 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -3.743 11.351 12.223 1.00 0.00 N ATOM 764 CA ILE O 1 -4.232 10.142 12.942 1.00 0.00 C ATOM 765 C ILE O 1 -3.344 8.949 12.595 1.00 0.00 C ATOM 766 O ILE O 1 -2.854 8.815 11.468 1.00 0.00 O ATOM 767 CB ILE O 1 -5.713 9.865 12.561 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.043 8.368 12.694 1.00 0.00 C ATOM 769 CG2 ILE O 1 -5.985 10.309 11.126 1.00 0.00 C ATOM 770 CD1 ILE O 1 -7.556 8.166 12.624 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.461 12.102 12.278 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.860 11.683 12.662 1.00 0.00 H new ATOM 0 H3 ILE O 1 -3.566 11.114 11.226 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.183 10.308 14.018 1.00 0.00 H new ATOM 0 HB ILE O 1 -6.344 10.432 13.246 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -5.554 7.806 11.898 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -5.658 7.983 13.639 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.026 10.108 10.874 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -5.788 11.377 11.032 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -5.335 9.759 10.446 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -7.786 7.105 12.718 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -8.034 8.715 13.435 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -7.928 8.534 11.668 1.00 0.00 H new ATOM 784 N HIS O 2 -3.162 8.069 13.577 1.00 0.00 N ATOM 785 CA HIS O 2 -2.384 6.884 13.387 1.00 0.00 C ATOM 786 C HIS O 2 -3.312 5.682 13.496 1.00 0.00 C ATOM 787 O HIS O 2 -3.943 5.482 14.534 1.00 0.00 O ATOM 788 CB HIS O 2 -1.351 6.863 14.534 1.00 0.00 C ATOM 789 CG HIS O 2 -0.745 5.502 14.711 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.424 4.973 15.970 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.349 4.573 13.802 1.00 0.00 C ATOM 792 CE1 HIS O 2 0.142 3.777 15.769 1.00 0.00 C ATOM 793 NE2 HIS O 2 0.219 3.477 14.473 1.00 0.00 N ATOM 0 H HIS O 2 -3.553 8.171 14.513 1.00 0.00 H new ATOM 0 HA HIS O 2 -1.888 6.858 12.417 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -0.563 7.588 14.328 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -1.832 7.171 15.462 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.591 5.418 16.872 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.454 4.663 12.731 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.494 3.133 16.561 1.00 0.00 H new ATOM 800 N VAL O 3 -3.362 4.854 12.452 1.00 0.00 N ATOM 801 CA VAL O 3 -4.184 3.644 12.493 1.00 0.00 C ATOM 802 C VAL O 3 -3.288 2.429 12.351 1.00 0.00 C ATOM 803 O VAL O 3 -2.584 2.295 11.350 1.00 0.00 O ATOM 804 CB VAL O 3 -5.228 3.666 11.366 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.072 2.382 11.440 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.140 4.915 11.506 1.00 0.00 C ATOM 0 H VAL O 3 -2.852 4.995 11.580 1.00 0.00 H new ATOM 0 HA VAL O 3 -4.711 3.600 13.446 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.723 3.715 10.401 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.816 2.389 10.643 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.424 1.513 11.323 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.575 2.332 12.406 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -6.876 4.920 10.702 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.653 4.885 12.467 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.532 5.818 11.447 1.00 0.00 H new ATOM 816 N HIS O 4 -3.323 1.533 13.335 1.00 0.00 N ATOM 817 CA HIS O 4 -2.528 0.333 13.287 1.00 0.00 C ATOM 818 C HIS O 4 -3.404 -0.907 13.293 1.00 0.00 C ATOM 819 O HIS O 4 -4.307 -1.034 14.121 1.00 0.00 O ATOM 820 CB HIS O 4 -1.540 0.341 14.467 1.00 0.00 C ATOM 821 CG HIS O 4 -0.384 -0.572 14.162 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.947 -0.137 14.051 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.362 -1.907 13.939 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.694 -1.216 13.772 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.948 -2.324 13.695 1.00 0.00 N ATOM 0 H HIS O 4 -3.898 1.626 14.172 1.00 0.00 H new ATOM 0 HA HIS O 4 -1.963 0.308 12.355 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.179 1.354 14.646 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.043 0.016 15.378 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.228 -2.553 13.948 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.764 -1.193 13.628 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.268 -3.272 13.499 1.00 0.00 H new ATOM 833 N LEU O 5 -3.127 -1.829 12.372 1.00 0.00 N ATOM 834 CA LEU O 5 -3.890 -3.075 12.282 1.00 0.00 C ATOM 835 C LEU O 5 -2.971 -4.272 12.475 1.00 0.00 C ATOM 836 O LEU O 5 -2.035 -4.482 11.703 1.00 0.00 O ATOM 837 CB LEU O 5 -4.574 -3.171 10.910 1.00 0.00 C ATOM 838 CG LEU O 5 -5.280 -4.529 10.745 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.382 -4.683 11.800 1.00 0.00 C ATOM 840 CD2 LEU O 5 -5.894 -4.603 9.345 1.00 0.00 C ATOM 0 H LEU O 5 -2.383 -1.738 11.680 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.647 -3.077 13.066 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -5.299 -2.364 10.803 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -3.834 -3.042 10.120 1.00 0.00 H new ATOM 0 HG LEU O 5 -4.555 -5.333 10.876 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.875 -5.647 11.674 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.943 -4.628 12.796 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -7.113 -3.884 11.681 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -6.397 -5.562 9.218 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -6.616 -3.796 9.221 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -5.107 -4.504 8.597 1.00 0.00 H new ATOM 852 N GLN O 6 -3.277 -5.082 13.481 1.00 0.00 N ATOM 853 CA GLN O 6 -2.515 -6.297 13.748 1.00 0.00 C ATOM 854 C GLN O 6 -3.504 -7.442 13.875 1.00 0.00 C ATOM 855 O GLN O 6 -4.365 -7.434 14.756 1.00 0.00 O ATOM 856 CB GLN O 6 -1.689 -6.148 15.028 1.00 0.00 C ATOM 857 CG GLN O 6 -0.837 -7.403 15.234 1.00 0.00 C ATOM 858 CD GLN O 6 -0.073 -7.309 16.548 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.677 -7.221 17.616 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.233 -7.312 16.528 1.00 0.00 N ATOM 0 H GLN O 6 -4.049 -4.919 14.127 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.815 -6.491 12.935 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.049 -5.268 14.960 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.348 -5.998 15.883 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.474 -8.287 15.238 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.138 -7.517 14.406 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.729 -7.385 15.640 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.757 -7.241 17.400 1.00 0.00 H new ATOM 869 N ILE O 7 -3.409 -8.408 12.968 1.00 0.00 N ATOM 870 CA ILE O 7 -4.342 -9.536 12.968 1.00 0.00 C ATOM 871 C ILE O 7 -3.627 -10.835 12.603 1.00 0.00 C ATOM 872 O ILE O 7 -2.437 -10.780 12.338 1.00 0.00 O ATOM 873 CB ILE O 7 -5.468 -9.232 11.965 1.00 0.00 C ATOM 874 CG1 ILE O 7 -4.868 -9.057 10.562 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.157 -7.935 12.380 1.00 0.00 C ATOM 876 CD1 ILE O 7 -5.975 -8.931 9.507 1.00 0.00 C ATOM 877 OXT ILE O 7 -4.281 -11.865 12.594 1.00 0.00 O ATOM 0 H ILE O 7 -2.705 -8.436 12.230 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.760 -9.668 13.966 1.00 0.00 H new ATOM 0 HB ILE O 7 -6.186 -10.052 11.954 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.236 -8.169 10.540 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.230 -9.908 10.326 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.958 -7.707 11.677 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.574 -8.049 13.381 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -5.432 -7.121 12.379 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -5.526 -8.808 8.521 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -6.590 -9.831 9.516 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -6.596 -8.065 9.733 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -0.758 11.604 8.549 1.00 0.00 N ATOM 891 CA ILE Q 1 -1.524 10.361 8.844 1.00 0.00 C ATOM 892 C ILE Q 1 -0.632 9.151 8.591 1.00 0.00 C ATOM 893 O ILE Q 1 -0.094 8.980 7.491 1.00 0.00 O ATOM 894 CB ILE Q 1 -2.765 10.298 7.938 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -3.682 11.480 8.275 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.512 8.982 8.170 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -4.791 11.598 7.228 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.115 12.381 9.141 1.00 0.00 H new ATOM 0 H2 ILE Q 1 0.250 11.448 8.754 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -0.873 11.853 7.546 1.00 0.00 H new ATOM 0 HA ILE Q 1 -1.844 10.361 9.886 1.00 0.00 H new ATOM 0 HB ILE Q 1 -2.461 10.350 6.892 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.118 11.342 9.264 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.102 12.403 8.308 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.390 8.943 7.525 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -2.854 8.144 7.938 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -3.824 8.920 9.212 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -5.437 12.440 7.476 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.348 11.758 6.245 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.379 10.680 7.216 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.473 8.301 9.609 1.00 0.00 N ATOM 912 CA HIS Q 2 0.342 7.091 9.446 1.00 0.00 C ATOM 913 C HIS Q 2 -0.574 5.872 9.503 1.00 0.00 C ATOM 914 O HIS Q 2 -1.271 5.669 10.498 1.00 0.00 O ATOM 915 CB HIS Q 2 1.387 7.001 10.582 1.00 0.00 C ATOM 916 CG HIS Q 2 2.639 7.775 10.231 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.879 7.159 10.108 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.867 9.112 10.006 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.782 8.116 9.825 1.00 0.00 C ATOM 920 NE2 HIS Q 2 4.219 9.324 9.751 1.00 0.00 N ATOM 0 H HIS Q 2 -0.886 8.421 10.534 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.862 7.127 8.489 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.960 7.393 11.505 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.640 5.957 10.766 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 2.110 9.882 10.024 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.835 7.929 9.676 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.680 10.211 9.551 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.540 5.036 8.463 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.344 3.812 8.454 1.00 0.00 C ATOM 930 C VAL Q 3 -0.417 2.599 8.438 1.00 0.00 C ATOM 931 O VAL Q 3 0.439 2.483 7.556 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.263 3.795 7.228 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.110 2.516 7.245 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.181 5.028 7.256 1.00 0.00 C ATOM 0 H VAL Q 3 0.027 5.181 7.627 1.00 0.00 H new ATOM 0 HA VAL Q 3 -1.964 3.778 9.350 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.661 3.818 6.319 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.765 2.502 6.374 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.455 1.645 7.221 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.713 2.491 8.153 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -3.834 5.015 6.384 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -3.786 5.011 8.163 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.574 5.934 7.242 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.585 1.693 9.401 1.00 0.00 N ATOM 945 CA HIS Q 4 0.254 0.484 9.467 1.00 0.00 C ATOM 946 C HIS Q 4 -0.616 -0.772 9.336 1.00 0.00 C ATOM 947 O HIS Q 4 -1.611 -0.912 10.048 1.00 0.00 O ATOM 948 CB HIS Q 4 1.033 0.460 10.810 1.00 0.00 C ATOM 949 CG HIS Q 4 1.900 1.713 10.992 1.00 0.00 C ATOM 950 ND1 HIS Q 4 2.061 2.338 12.236 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.659 2.465 10.112 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.872 3.397 12.063 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.265 3.525 10.792 1.00 0.00 N ATOM 0 H HIS Q 4 -1.284 1.766 10.140 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.967 0.499 8.643 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.328 0.384 11.637 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.665 -0.427 10.847 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.767 2.263 9.057 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 3.170 4.065 12.857 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.236 -1.695 8.443 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.999 -2.944 8.260 1.00 0.00 C ATOM 962 C LEU Q 5 -0.096 -4.146 8.512 1.00 0.00 C ATOM 963 O LEU Q 5 0.952 -4.288 7.881 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.540 -3.020 6.833 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.372 -1.774 6.515 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.842 -1.842 5.053 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -3.585 -1.699 7.459 1.00 0.00 C ATOM 0 H LEU Q 5 0.583 -1.606 7.842 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.828 -2.953 8.967 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -0.714 -3.104 6.127 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.152 -3.914 6.716 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.764 -0.881 6.659 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.435 -0.958 4.820 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -1.975 -1.882 4.394 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -3.450 -2.735 4.907 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -4.172 -0.810 7.227 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -4.203 -2.587 7.328 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -3.240 -1.646 8.492 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.518 -5.022 9.419 1.00 0.00 N ATOM 980 CA GLN Q 6 0.250 -6.228 9.730 1.00 0.00 C ATOM 981 C GLN Q 6 -0.706 -7.403 9.874 1.00 0.00 C ATOM 982 O GLN Q 6 -1.554 -7.420 10.771 1.00 0.00 O ATOM 983 CB GLN Q 6 1.049 -6.027 11.024 1.00 0.00 C ATOM 984 CG GLN Q 6 1.923 -7.258 11.295 1.00 0.00 C ATOM 985 CD GLN Q 6 2.650 -7.105 12.628 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.016 -6.983 13.676 1.00 0.00 O ATOM 987 NE2 GLN Q 6 3.955 -7.101 12.648 1.00 0.00 N ATOM 0 H GLN Q 6 -1.383 -4.922 9.950 1.00 0.00 H new ATOM 0 HA GLN Q 6 0.953 -6.432 8.923 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.674 -5.138 10.941 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.369 -5.862 11.860 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.305 -8.156 11.311 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.647 -7.383 10.490 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.479 -7.202 11.779 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.451 -6.997 13.533 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.580 -8.385 8.979 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.465 -9.559 9.017 1.00 0.00 C ATOM 998 C ILE Q 7 -0.654 -10.847 8.855 1.00 0.00 C ATOM 999 O ILE Q 7 0.546 -10.748 8.658 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.543 -9.428 7.911 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.036 -10.045 6.598 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.875 -7.944 7.702 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -2.921 -9.614 5.434 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -1.248 -11.910 8.931 1.00 0.00 O ATOM 0 H ILE Q 7 0.112 -8.396 8.230 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.964 -9.606 9.985 1.00 0.00 H new ATOM 0 HB ILE Q 7 -3.442 -9.962 8.219 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.007 -9.734 6.416 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.031 -11.132 6.677 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.633 -7.847 6.925 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.253 -7.521 8.633 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -1.975 -7.409 7.400 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -2.550 -10.059 4.511 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -3.944 -9.947 5.612 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -2.903 -8.528 5.346 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.962 11.447 4.294 1.00 0.00 N ATOM 1018 CA ILE S 1 1.449 10.240 5.002 1.00 0.00 C ATOM 1019 C ILE S 1 2.379 9.063 4.740 1.00 0.00 C ATOM 1020 O ILE S 1 2.964 8.934 3.658 1.00 0.00 O ATOM 1021 CB ILE S 1 0.009 9.913 4.523 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -0.253 8.395 4.560 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.198 10.404 3.090 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -1.742 8.143 4.415 1.00 0.00 C ATOM 0 H1 ILE S 1 1.247 12.201 4.330 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.835 11.775 4.755 1.00 0.00 H new ATOM 0 H3 ILE S 1 2.163 11.208 3.302 1.00 0.00 H new ATOM 0 HA ILE S 1 1.418 10.435 6.074 1.00 0.00 H new ATOM 0 HB ILE S 1 -0.684 10.418 5.196 1.00 0.00 H new ATOM 0 HG12 ILE S 1 0.292 7.900 3.756 1.00 0.00 H new ATOM 0 HG13 ILE S 1 0.110 7.974 5.498 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.212 10.168 2.767 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.046 11.483 3.049 1.00 0.00 H new ATOM 0 HG23 ILE S 1 0.516 9.912 2.430 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -1.934 7.070 4.440 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.274 8.626 5.234 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.089 8.551 3.466 1.00 0.00 H new ATOM 1038 N HIS S 2 2.473 8.181 5.734 1.00 0.00 N ATOM 1039 CA HIS S 2 3.276 6.998 5.600 1.00 0.00 C ATOM 1040 C HIS S 2 2.357 5.787 5.623 1.00 0.00 C ATOM 1041 O HIS S 2 1.657 5.568 6.612 1.00 0.00 O ATOM 1042 CB HIS S 2 4.214 6.951 6.822 1.00 0.00 C ATOM 1043 CG HIS S 2 4.853 5.596 6.966 1.00 0.00 C ATOM 1044 ND1 HIS S 2 5.048 4.961 8.207 1.00 0.00 N ATOM 1045 CD2 HIS S 2 5.390 4.766 6.035 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.684 3.810 7.970 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.922 3.632 6.672 1.00 0.00 N ATOM 0 H HIS S 2 1.999 8.275 6.632 1.00 0.00 H new ATOM 0 HA HIS S 2 3.848 7.001 4.672 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.988 7.712 6.719 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.651 7.188 7.725 1.00 0.00 H new ATOM 0 HD2 HIS S 2 5.406 4.949 4.971 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.971 3.108 8.739 1.00 0.00 H new ATOM 1054 N VAL S 3 2.400 4.965 4.575 1.00 0.00 N ATOM 1055 CA VAL S 3 1.599 3.740 4.557 1.00 0.00 C ATOM 1056 C VAL S 3 2.530 2.546 4.475 1.00 0.00 C ATOM 1057 O VAL S 3 3.294 2.428 3.516 1.00 0.00 O ATOM 1058 CB VAL S 3 0.639 3.744 3.359 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.188 2.448 3.377 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.299 4.979 3.430 1.00 0.00 C ATOM 0 H VAL S 3 2.969 5.119 3.742 1.00 0.00 H new ATOM 0 HA VAL S 3 1.005 3.682 5.469 1.00 0.00 H new ATOM 0 HB VAL S 3 1.210 3.799 2.432 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.873 2.442 2.529 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.480 1.589 3.310 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.758 2.393 4.305 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -0.976 4.972 2.575 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -0.879 4.943 4.352 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.298 5.891 3.412 1.00 0.00 H new ATOM 1070 N HIS S 4 2.458 1.648 5.456 1.00 0.00 N ATOM 1071 CA HIS S 4 3.285 0.468 5.449 1.00 0.00 C ATOM 1072 C HIS S 4 2.440 -0.793 5.411 1.00 0.00 C ATOM 1073 O HIS S 4 1.500 -0.941 6.194 1.00 0.00 O ATOM 1074 CB HIS S 4 4.220 0.498 6.671 1.00 0.00 C ATOM 1075 CG HIS S 4 5.401 -0.400 6.421 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.731 0.053 6.344 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.451 -1.740 6.232 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.502 -1.022 6.119 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.774 -2.142 6.044 1.00 0.00 N ATOM 0 H HIS S 4 1.834 1.725 6.259 1.00 0.00 H new ATOM 0 HA HIS S 4 3.895 0.459 4.546 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.558 1.517 6.859 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.683 0.171 7.561 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.595 -2.399 6.227 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.576 -0.987 6.012 1.00 0.00 H new ATOM 0 HE2 HIS S 4 7.114 -3.090 5.883 1.00 0.00 H new ATOM 1087 N LEU S 5 2.784 -1.709 4.503 1.00 0.00 N ATOM 1088 CA LEU S 5 2.051 -2.969 4.378 1.00 0.00 C ATOM 1089 C LEU S 5 2.971 -4.156 4.618 1.00 0.00 C ATOM 1090 O LEU S 5 3.951 -4.355 3.899 1.00 0.00 O ATOM 1091 CB LEU S 5 1.416 -3.071 2.983 1.00 0.00 C ATOM 1092 CG LEU S 5 0.743 -4.440 2.788 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.387 -4.615 3.807 1.00 0.00 C ATOM 1094 CD2 LEU S 5 0.173 -4.516 1.368 1.00 0.00 C ATOM 0 H LEU S 5 3.559 -1.603 3.849 1.00 0.00 H new ATOM 0 HA LEU S 5 1.265 -2.985 5.133 1.00 0.00 H new ATOM 0 HB2 LEU S 5 0.680 -2.277 2.855 1.00 0.00 H new ATOM 0 HB3 LEU S 5 2.180 -2.924 2.219 1.00 0.00 H new ATOM 0 HG LEU S 5 1.477 -5.233 2.935 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.859 -5.587 3.663 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.021 -4.555 4.816 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -1.128 -3.827 3.668 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -0.307 -5.484 1.220 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -0.561 -3.722 1.227 1.00 0.00 H new ATOM 0 HD23 LEU S 5 0.980 -4.397 0.645 1.00 0.00 H new ATOM 1106 N GLN S 6 2.617 -4.970 5.609 1.00 0.00 N ATOM 1107 CA GLN S 6 3.377 -6.176 5.921 1.00 0.00 C ATOM 1108 C GLN S 6 2.404 -7.342 6.008 1.00 0.00 C ATOM 1109 O GLN S 6 1.497 -7.361 6.853 1.00 0.00 O ATOM 1110 CB GLN S 6 4.141 -6.008 7.237 1.00 0.00 C ATOM 1111 CG GLN S 6 5.004 -7.249 7.484 1.00 0.00 C ATOM 1112 CD GLN S 6 5.710 -7.139 8.828 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.061 -7.069 9.874 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.015 -7.104 8.856 1.00 0.00 N ATOM 0 H GLN S 6 1.808 -4.816 6.210 1.00 0.00 H new ATOM 0 HA GLN S 6 4.113 -6.365 5.139 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.768 -5.117 7.195 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.442 -5.867 8.061 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.382 -8.144 7.464 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.739 -7.354 6.686 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.546 -7.162 7.987 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.504 -7.018 9.747 1.00 0.00 H new ATOM 1123 N ILE S 7 2.567 -8.301 5.105 1.00 0.00 N ATOM 1124 CA ILE S 7 1.664 -9.446 5.062 1.00 0.00 C ATOM 1125 C ILE S 7 2.422 -10.726 4.714 1.00 0.00 C ATOM 1126 O ILE S 7 3.620 -10.643 4.504 1.00 0.00 O ATOM 1127 CB ILE S 7 0.571 -9.146 4.019 1.00 0.00 C ATOM 1128 CG1 ILE S 7 1.212 -9.020 2.629 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.093 -7.817 4.375 1.00 0.00 C ATOM 1130 CD1 ILE S 7 0.139 -8.877 1.541 1.00 0.00 C ATOM 1131 OXT ILE S 7 1.790 -11.769 4.663 1.00 0.00 O ATOM 0 H ILE S 7 3.305 -8.311 4.401 1.00 0.00 H new ATOM 0 HA ILE S 7 1.211 -9.604 6.041 1.00 0.00 H new ATOM 0 HB ILE S 7 -0.165 -9.950 4.014 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.875 -8.155 2.607 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.826 -9.898 2.427 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.870 -7.591 3.644 1.00 0.00 H new ATOM 0 HG22 ILE S 7 -0.538 -7.887 5.368 1.00 0.00 H new ATOM 0 HG23 ILE S 7 0.654 -7.023 4.367 1.00 0.00 H new ATOM 0 HD11 ILE S 7 0.619 -8.789 0.566 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -0.507 -9.755 1.550 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.457 -7.985 1.733 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 4.854 11.748 0.470 1.00 0.00 N ATOM 1145 CA ILE U 1 4.094 10.498 0.750 1.00 0.00 C ATOM 1146 C ILE U 1 5.006 9.297 0.535 1.00 0.00 C ATOM 1147 O ILE U 1 5.550 9.107 -0.558 1.00 0.00 O ATOM 1148 CB ILE U 1 2.888 10.411 -0.199 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.949 11.589 0.087 1.00 0.00 C ATOM 1150 CG2 ILE U 1 2.150 9.086 0.021 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.873 11.674 -0.996 1.00 0.00 C ATOM 0 H1 ILE U 1 4.458 12.528 1.032 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.853 11.611 0.724 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.782 11.979 -0.542 1.00 0.00 H new ATOM 0 HA ILE U 1 3.741 10.504 1.781 1.00 0.00 H new ATOM 0 HB ILE U 1 3.226 10.454 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.484 11.465 1.065 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.518 12.518 0.120 1.00 0.00 H new ATOM 0 HG21 ILE U 1 1.296 9.029 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.827 8.255 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.802 9.030 1.052 1.00 0.00 H new ATOM 0 HD11 ILE U 1 0.210 12.513 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE U 1 1.345 11.820 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE U 1 0.295 10.750 -1.008 1.00 0.00 H new ATOM 1165 N HIS U 2 5.173 8.475 1.574 1.00 0.00 N ATOM 1166 CA HIS U 2 6.011 7.277 1.446 1.00 0.00 C ATOM 1167 C HIS U 2 5.119 6.041 1.511 1.00 0.00 C ATOM 1168 O HIS U 2 4.404 5.840 2.495 1.00 0.00 O ATOM 1169 CB HIS U 2 7.040 7.228 2.600 1.00 0.00 C ATOM 1170 CG HIS U 2 8.285 8.012 2.252 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.534 7.411 2.151 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.497 9.349 2.008 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.426 8.376 1.860 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.847 9.574 1.762 1.00 0.00 N ATOM 0 H HIS U 2 4.751 8.610 2.493 1.00 0.00 H new ATOM 0 HA HIS U 2 6.543 7.305 0.495 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.593 7.633 3.508 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.306 6.192 2.811 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.730 10.110 2.008 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.483 8.202 1.722 1.00 0.00 H new ATOM 0 HE2 HIS U 2 10.298 10.464 1.552 1.00 0.00 H new ATOM 1182 N VAL U 3 5.194 5.191 0.486 1.00 0.00 N ATOM 1183 CA VAL U 3 4.418 3.950 0.474 1.00 0.00 C ATOM 1184 C VAL U 3 5.374 2.760 0.502 1.00 0.00 C ATOM 1185 O VAL U 3 6.254 2.654 -0.355 1.00 0.00 O ATOM 1186 CB VAL U 3 3.540 3.897 -0.780 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.720 2.602 -0.778 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.596 5.111 -0.799 1.00 0.00 C ATOM 0 H VAL U 3 5.777 5.336 -0.338 1.00 0.00 H new ATOM 0 HA VAL U 3 3.772 3.913 1.351 1.00 0.00 H new ATOM 0 HB VAL U 3 4.172 3.920 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.096 2.565 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.393 1.745 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.087 2.574 0.109 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.972 5.072 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.963 5.093 0.088 1.00 0.00 H new ATOM 0 HG23 VAL U 3 3.184 6.029 -0.807 1.00 0.00 H new ATOM 1198 N HIS U 4 5.203 1.862 1.473 1.00 0.00 N ATOM 1199 CA HIS U 4 6.073 0.676 1.575 1.00 0.00 C ATOM 1200 C HIS U 4 5.242 -0.603 1.436 1.00 0.00 C ATOM 1201 O HIS U 4 4.234 -0.765 2.127 1.00 0.00 O ATOM 1202 CB HIS U 4 6.819 0.685 2.938 1.00 0.00 C ATOM 1203 CG HIS U 4 7.661 1.953 3.118 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.796 2.596 4.356 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.416 2.708 2.237 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.589 3.668 4.177 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.993 3.786 2.910 1.00 0.00 N ATOM 0 H HIS U 4 4.483 1.925 2.193 1.00 0.00 H new ATOM 0 HA HIS U 4 6.806 0.704 0.769 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.095 0.612 3.749 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.463 -0.192 3.006 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.540 2.495 1.186 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.866 4.352 4.965 1.00 0.00 H new ATOM 1214 N LEU U 5 5.669 -1.523 0.560 1.00 0.00 N ATOM 1215 CA LEU U 5 4.944 -2.793 0.371 1.00 0.00 C ATOM 1216 C LEU U 5 5.865 -3.971 0.661 1.00 0.00 C ATOM 1217 O LEU U 5 6.927 -4.106 0.051 1.00 0.00 O ATOM 1218 CB LEU U 5 4.433 -2.899 -1.065 1.00 0.00 C ATOM 1219 CG LEU U 5 3.578 -1.678 -1.417 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.135 -1.778 -2.886 1.00 0.00 C ATOM 1221 CD2 LEU U 5 2.347 -1.616 -0.497 1.00 0.00 C ATOM 0 H LEU U 5 6.500 -1.417 -0.022 1.00 0.00 H new ATOM 0 HA LEU U 5 4.099 -2.814 1.060 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.275 -2.972 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.845 -3.809 -1.183 1.00 0.00 H new ATOM 0 HG LEU U 5 4.164 -0.770 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.526 -0.911 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU U 5 4.014 -1.807 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU U 5 2.551 -2.687 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU U 5 1.744 -0.745 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU U 5 1.751 -2.520 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU U 5 2.672 -1.539 0.541 1.00 0.00 H new ATOM 1233 N GLN U 6 5.443 -4.836 1.580 1.00 0.00 N ATOM 1234 CA GLN U 6 6.223 -6.021 1.932 1.00 0.00 C ATOM 1235 C GLN U 6 5.285 -7.211 2.066 1.00 0.00 C ATOM 1236 O GLN U 6 4.413 -7.232 2.941 1.00 0.00 O ATOM 1237 CB GLN U 6 6.976 -5.786 3.249 1.00 0.00 C ATOM 1238 CG GLN U 6 7.861 -6.998 3.566 1.00 0.00 C ATOM 1239 CD GLN U 6 8.545 -6.816 4.920 1.00 0.00 C ATOM 1240 OE1 GLN U 6 7.878 -6.708 5.954 1.00 0.00 O ATOM 1241 NE2 GLN U 6 9.849 -6.772 4.971 1.00 0.00 N ATOM 0 H GLN U 6 4.567 -4.740 2.094 1.00 0.00 H new ATOM 0 HA GLN U 6 6.955 -6.222 1.150 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.588 -4.887 3.173 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.266 -5.621 4.060 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.257 -7.905 3.575 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.612 -7.123 2.786 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.396 -6.862 4.115 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.320 -6.648 5.867 1.00 0.00 H new ATOM 1250 N ILE U 7 5.453 -8.200 1.187 1.00 0.00 N ATOM 1251 CA ILE U 7 4.591 -9.388 1.215 1.00 0.00 C ATOM 1252 C ILE U 7 5.429 -10.663 1.102 1.00 0.00 C ATOM 1253 O ILE U 7 6.632 -10.545 0.937 1.00 0.00 O ATOM 1254 CB ILE U 7 3.547 -9.294 0.073 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.110 -9.906 -1.216 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.187 -7.821 -0.165 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.234 -9.531 -2.405 1.00 0.00 C ATOM 1258 OXT ILE U 7 4.854 -11.736 1.183 1.00 0.00 O ATOM 0 H ILE U 7 6.165 -8.206 0.457 1.00 0.00 H new ATOM 0 HA ILE U 7 4.062 -9.430 2.167 1.00 0.00 H new ATOM 0 HB ILE U 7 2.653 -9.848 0.360 1.00 0.00 H new ATOM 0 HG12 ILE U 7 5.128 -9.553 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.160 -10.991 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.453 -7.751 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.768 -7.397 0.748 1.00 0.00 H new ATOM 0 HG23 ILE U 7 4.084 -7.268 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.645 -9.972 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.223 -9.906 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE U 7 3.206 -8.446 -2.509 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.571 11.632 -3.773 1.00 0.00 N ATOM 1272 CA ILE W 1 7.060 10.424 -3.066 1.00 0.00 C ATOM 1273 C ILE W 1 8.026 9.267 -3.273 1.00 0.00 C ATOM 1274 O ILE W 1 8.645 9.134 -4.333 1.00 0.00 O ATOM 1275 CB ILE W 1 5.651 10.053 -3.601 1.00 0.00 C ATOM 1276 CG1 ILE W 1 5.431 8.528 -3.558 1.00 0.00 C ATOM 1277 CG2 ILE W 1 5.496 10.527 -5.045 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.958 8.232 -3.756 1.00 0.00 C ATOM 0 H1 ILE W 1 6.850 12.381 -3.746 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.437 11.968 -3.305 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.784 11.391 -4.762 1.00 0.00 H new ATOM 0 HA ILE W 1 6.982 10.635 -1.999 1.00 0.00 H new ATOM 0 HB ILE W 1 4.914 10.542 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE W 1 6.020 8.041 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.770 8.126 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.504 10.262 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.621 11.609 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE W 1 6.252 10.049 -5.668 1.00 0.00 H new ATOM 0 HD11 ILE W 1 3.796 7.154 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.381 8.707 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.635 8.621 -4.722 1.00 0.00 H new ATOM 1292 N HIS W 2 8.106 8.401 -2.265 1.00 0.00 N ATOM 1293 CA HIS W 2 8.938 7.232 -2.357 1.00 0.00 C ATOM 1294 C HIS W 2 8.045 5.999 -2.352 1.00 0.00 C ATOM 1295 O HIS W 2 7.314 5.774 -1.387 1.00 0.00 O ATOM 1296 CB HIS W 2 9.840 7.205 -1.105 1.00 0.00 C ATOM 1297 CG HIS W 2 10.532 5.876 -0.982 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.759 5.224 0.245 1.00 0.00 N ATOM 1299 CD2 HIS W 2 11.083 5.081 -1.934 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.426 4.093 -0.025 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.652 3.953 -1.334 1.00 0.00 N ATOM 0 H HIS W 2 7.602 8.497 -1.384 1.00 0.00 H new ATOM 0 HA HIS W 2 9.539 7.247 -3.266 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.580 8.003 -1.166 1.00 0.00 H new ATOM 0 HB3 HIS W 2 9.241 7.393 -0.214 1.00 0.00 H new ATOM 0 HD2 HIS W 2 11.082 5.288 -2.994 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.742 3.382 0.724 1.00 0.00 H new ATOM 1308 N VAL W 3 8.145 5.165 -3.388 1.00 0.00 N ATOM 1309 CA VAL W 3 7.375 3.921 -3.422 1.00 0.00 C ATOM 1310 C VAL W 3 8.335 2.749 -3.457 1.00 0.00 C ATOM 1311 O VAL W 3 9.135 2.639 -4.386 1.00 0.00 O ATOM 1312 CB VAL W 3 6.464 3.889 -4.657 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.667 2.574 -4.658 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.496 5.100 -4.637 1.00 0.00 C ATOM 0 H VAL W 3 8.740 5.324 -4.201 1.00 0.00 H new ATOM 0 HA VAL W 3 6.749 3.859 -2.532 1.00 0.00 H new ATOM 0 HB VAL W 3 7.071 3.948 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.017 2.543 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.357 1.731 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.061 2.515 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.854 5.067 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.881 5.059 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL W 3 6.071 6.026 -4.641 1.00 0.00 H new ATOM 1324 N HIS W 4 8.248 1.858 -2.469 1.00 0.00 N ATOM 1325 CA HIS W 4 9.102 0.697 -2.436 1.00 0.00 C ATOM 1326 C HIS W 4 8.293 -0.586 -2.489 1.00 0.00 C ATOM 1327 O HIS W 4 7.333 -0.753 -1.733 1.00 0.00 O ATOM 1328 CB HIS W 4 10.001 0.763 -1.186 1.00 0.00 C ATOM 1329 CG HIS W 4 11.211 -0.108 -1.390 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.534 0.372 -1.386 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.297 -1.442 -1.609 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.336 -0.683 -1.600 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.636 -1.814 -1.739 1.00 0.00 N ATOM 0 H HIS W 4 7.594 1.928 -1.689 1.00 0.00 H new ATOM 0 HA HIS W 4 9.739 0.694 -3.321 1.00 0.00 H new ATOM 0 HB2 HIS W 4 10.308 1.792 -1.000 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.446 0.432 -0.308 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.456 -2.116 -1.673 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.413 -0.626 -1.653 1.00 0.00 H new ATOM 0 HE2 HIS W 4 13.003 -2.751 -1.905 1.00 0.00 H new ATOM 1341 N LEU W 5 8.691 -1.500 -3.379 1.00 0.00 N ATOM 1342 CA LEU W 5 7.995 -2.781 -3.516 1.00 0.00 C ATOM 1343 C LEU W 5 8.934 -3.944 -3.235 1.00 0.00 C ATOM 1344 O LEU W 5 9.937 -4.132 -3.925 1.00 0.00 O ATOM 1345 CB LEU W 5 7.404 -2.912 -4.926 1.00 0.00 C ATOM 1346 CG LEU W 5 6.766 -4.296 -5.122 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.622 -4.489 -4.120 1.00 0.00 C ATOM 1348 CD2 LEU W 5 6.222 -4.395 -6.550 1.00 0.00 C ATOM 0 H LEU W 5 9.484 -1.378 -4.009 1.00 0.00 H new ATOM 0 HA LEU W 5 7.187 -2.809 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU W 5 6.656 -2.135 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU W 5 8.186 -2.758 -5.669 1.00 0.00 H new ATOM 0 HG LEU W 5 7.515 -5.071 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.174 -5.472 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.011 -4.413 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU W 5 4.866 -3.719 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU W 5 5.767 -5.374 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.473 -3.619 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU W 5 7.038 -4.262 -7.260 1.00 0.00 H new ATOM 1360 N GLN W 6 8.571 -4.751 -2.238 1.00 0.00 N ATOM 1361 CA GLN W 6 9.348 -5.936 -1.885 1.00 0.00 C ATOM 1362 C GLN W 6 8.406 -7.127 -1.813 1.00 0.00 C ATOM 1363 O GLN W 6 7.488 -7.171 -0.980 1.00 0.00 O ATOM 1364 CB GLN W 6 10.068 -5.731 -0.549 1.00 0.00 C ATOM 1365 CG GLN W 6 10.933 -6.957 -0.244 1.00 0.00 C ATOM 1366 CD GLN W 6 11.600 -6.807 1.117 1.00 0.00 C ATOM 1367 OE1 GLN W 6 10.923 -6.734 2.146 1.00 0.00 O ATOM 1368 NE2 GLN W 6 12.903 -6.738 1.176 1.00 0.00 N ATOM 0 H GLN W 6 7.743 -4.604 -1.661 1.00 0.00 H new ATOM 0 HA GLN W 6 10.110 -6.117 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.689 -4.836 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.341 -5.578 0.249 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.318 -7.857 -0.258 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.692 -7.077 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.456 -6.799 0.321 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.367 -6.623 2.077 1.00 0.00 H new ATOM 1377 N ILE W 7 8.618 -8.083 -2.713 1.00 0.00 N ATOM 1378 CA ILE W 7 7.757 -9.257 -2.775 1.00 0.00 C ATOM 1379 C ILE W 7 8.563 -10.511 -3.107 1.00 0.00 C ATOM 1380 O ILE W 7 9.763 -10.389 -3.288 1.00 0.00 O ATOM 1381 CB ILE W 7 6.675 -8.995 -3.842 1.00 0.00 C ATOM 1382 CG1 ILE W 7 7.332 -8.873 -5.230 1.00 0.00 C ATOM 1383 CG2 ILE W 7 5.981 -7.673 -3.514 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.267 -8.749 -6.329 1.00 0.00 C ATOM 1385 OXT ILE W 7 7.968 -11.574 -3.172 1.00 0.00 O ATOM 0 H ILE W 7 9.370 -8.068 -3.402 1.00 0.00 H new ATOM 0 HA ILE W 7 7.290 -9.430 -1.805 1.00 0.00 H new ATOM 0 HB ILE W 7 5.959 -9.817 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE W 7 7.987 -8.002 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.957 -9.746 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.212 -7.471 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE W 7 5.522 -7.738 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE W 7 6.714 -6.866 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE W 7 6.755 -8.664 -7.300 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.629 -9.633 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.660 -7.862 -6.149 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 10.324 11.922 -7.671 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.576 10.655 -7.424 1.00 0.00 C ATOM 1400 C ILE Y 1 10.519 9.475 -7.582 1.00 0.00 C ATOM 1401 O ILE Y 1 11.056 9.249 -8.667 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.437 10.530 -8.442 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.451 11.682 -8.224 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.731 9.185 -8.262 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.443 11.720 -9.369 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.843 12.709 -7.190 1.00 0.00 H new ATOM 0 H2 ILE Y 1 11.292 11.831 -7.302 1.00 0.00 H new ATOM 0 H3 ILE Y 1 10.359 12.111 -8.693 1.00 0.00 H new ATOM 0 HA ILE Y 1 9.166 10.665 -6.414 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.834 10.580 -9.456 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.932 11.554 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.989 12.628 -8.169 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.922 9.099 -8.987 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.445 8.376 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 7.323 9.120 -7.253 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.743 12.541 -9.211 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.969 11.869 -10.312 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.896 10.778 -9.403 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.711 8.705 -6.507 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.587 7.532 -6.580 1.00 0.00 C ATOM 1421 C HIS Y 2 10.736 6.268 -6.518 1.00 0.00 C ATOM 1422 O HIS Y 2 9.987 6.063 -5.563 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.568 7.539 -5.384 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.805 8.344 -5.701 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 15.068 7.767 -5.746 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.996 9.680 -5.963 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.950 8.745 -6.022 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.350 9.930 -6.164 1.00 0.00 N ATOM 0 H HIS Y 2 10.283 8.867 -5.595 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.150 7.558 -7.513 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 12.074 7.956 -4.507 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.850 6.516 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 13.213 10.423 -6.006 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 17.015 8.591 -6.117 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.790 10.826 -6.375 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.886 5.402 -7.520 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.158 4.134 -7.546 1.00 0.00 C ATOM 1438 C VAL Y 3 11.157 2.982 -7.445 1.00 0.00 C ATOM 1439 O VAL Y 3 12.078 2.896 -8.258 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.359 4.031 -8.851 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.592 2.706 -8.883 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.368 5.205 -8.946 1.00 0.00 C ATOM 0 H VAL Y 3 11.501 5.554 -8.320 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.467 4.083 -6.705 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.046 4.070 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.025 2.636 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.296 1.876 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 7.907 2.661 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.802 5.129 -9.874 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.683 5.172 -8.099 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.917 6.147 -8.932 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.978 2.092 -6.465 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.889 0.942 -6.304 1.00 0.00 C ATOM 1454 C HIS Y 4 11.116 -0.371 -6.460 1.00 0.00 C ATOM 1455 O HIS Y 4 10.082 -0.565 -5.816 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.584 0.990 -4.915 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.373 2.283 -4.715 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.444 2.933 -3.475 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.136 3.051 -5.572 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 14.214 4.027 -3.632 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.660 4.147 -4.886 1.00 0.00 N ATOM 0 H HIS Y 4 10.225 2.138 -5.778 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.654 0.996 -7.078 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.833 0.898 -4.130 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.255 0.137 -4.815 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.302 2.836 -6.617 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.443 4.724 -2.839 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.623 -1.281 -7.301 1.00 0.00 N ATOM 1469 CA LEU Y 5 10.965 -2.582 -7.513 1.00 0.00 C ATOM 1470 C LEU Y 5 11.907 -3.719 -7.144 1.00 0.00 C ATOM 1471 O LEU Y 5 13.003 -3.834 -7.694 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.552 -2.723 -8.979 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.653 -1.549 -9.390 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.275 -1.696 -10.871 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 8.380 -1.526 -8.525 1.00 0.00 C ATOM 0 H LEU Y 5 12.477 -1.146 -7.842 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.081 -2.631 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.438 -2.752 -9.613 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 10.023 -3.665 -9.127 1.00 0.00 H new ATOM 0 HG LEU Y 5 10.192 -0.613 -9.241 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.636 -0.864 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 10.179 -1.694 -11.479 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 8.741 -2.634 -11.019 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 7.751 -0.689 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 7.832 -2.459 -8.659 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 8.655 -1.414 -7.476 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.463 -4.574 -6.226 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.258 -5.725 -5.803 1.00 0.00 C ATOM 1489 C GLN Y 6 11.346 -6.937 -5.690 1.00 0.00 C ATOM 1490 O GLN Y 6 10.419 -6.960 -4.875 1.00 0.00 O ATOM 1491 CB GLN Y 6 12.937 -5.434 -4.456 1.00 0.00 C ATOM 1492 CG GLN Y 6 13.845 -6.607 -4.065 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.455 -6.369 -2.684 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 13.737 -6.245 -1.691 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 15.752 -6.295 -2.563 1.00 0.00 N ATOM 0 H GLN Y 6 10.559 -4.492 -5.761 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.038 -5.925 -6.538 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.522 -4.517 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.183 -5.274 -3.686 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.272 -7.534 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.637 -6.725 -4.804 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.348 -6.398 -3.385 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.170 -6.135 -1.647 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.598 -7.941 -6.528 1.00 0.00 N ATOM 1505 CA ILE Y 7 10.775 -9.148 -6.536 1.00 0.00 C ATOM 1506 C ILE Y 7 11.658 -10.397 -6.570 1.00 0.00 C ATOM 1507 O ILE Y 7 12.863 -10.244 -6.674 1.00 0.00 O ATOM 1508 CB ILE Y 7 9.820 -9.098 -7.753 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.510 -9.641 -9.021 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.390 -7.649 -8.004 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.622 -9.400 -10.248 1.00 0.00 C ATOM 1512 OXT ILE Y 7 11.113 -11.486 -6.492 1.00 0.00 O ATOM 0 H ILE Y 7 12.360 -7.943 -7.206 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.180 -9.196 -5.624 1.00 0.00 H new ATOM 0 HB ILE Y 7 8.952 -9.720 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 11.474 -9.151 -9.158 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.707 -10.707 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.717 -7.612 -8.861 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.877 -7.264 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 10.270 -7.038 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 10.118 -9.787 -11.138 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.669 -9.911 -10.113 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.447 -8.331 -10.366 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -13.826 -1.856 2.685 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -10.871 -5.407 -1.279 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.132 -1.971 -5.168 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -4.964 -5.571 -9.038 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.313 -2.217 -12.938 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.869 -5.614 -16.647 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 1.414 1.706 13.944 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 4.301 5.311 9.981 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 7.230 1.923 6.192 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.989 5.560 2.056 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.845 2.288 -1.423 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.520 5.700 -5.667 1.00 0.00 ZN